5-[4-(1-methylcyclopropyl)phenyl]furan-2-carboxylic acid

C15H14O3 — CID 152990404

IUPAC5-[4-(1-methylcyclopropyl)phenyl]furan-2-carboxylic acid
SMILESCC1(c2ccc(-c3ccc(C(=O)O)o3)cc2)CC1
InChIInChI=1S/C15H14O3/c1-15(8-9-15)11-4-2-10(3-5-11)12-6-7-13(18-12)14(16)17/h2-7H,8-9H2,1H3,(H,16,17)
InChIKeyUWDRFJTZSHYFMU-UHFFFAOYSA-N
MW242.27 g/mol
LogP3.70
Rot. Bonds3

About 5-[4-(1-methylcyclopropyl)phenyl]furan-2-carboxylic acid

5-[4-(1-methylcyclopropyl)phenyl]furan-2-carboxylic acid (PubChem CID 152990404) has the molecular formula C15H14O3 and a molecular weight of 242.27 g/mol. Its IUPAC name is 5-[4-(1-methylcyclopropyl)phenyl]furan-2-carboxylic acid.

Molecular Properties

Compound Name5-[4-(1-methylcyclopropyl)phenyl]furan-2-carboxylic acid
PubChem CID152990404
Molecular FormulaC15H14O3
Molecular Weight242.27 g/mol
Exact Mass242.09
IUPAC Name5-[4-(1-methylcyclopropyl)phenyl]furan-2-carboxylic acid
SMILESCC1(c2ccc(-c3ccc(C(=O)O)o3)cc2)CC1
InChIInChI=1S/C15H14O3/c1-15(8-9-15)11-4-2-10(3-5-11)12-6-7-13(18-12)14(16)17/h2-7H,8-9H2,1H3,(H,16,17)
InChIKeyUWDRFJTZSHYFMU-UHFFFAOYSA-N
XLogP3.70
TPSA50.44 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.27
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-[4-(1-methylcyclopropyl)phenyl]furan-2-carboxylic acid?
The IUPAC name of 5-[4-(1-methylcyclopropyl)phenyl]furan-2-carboxylic acid (CID 152990404) is 5-[4-(1-methylcyclopropyl)phenyl]furan-2-carboxylic acid.
What is the SMILES notation for 5-[4-(1-methylcyclopropyl)phenyl]furan-2-carboxylic acid?
The canonical SMILES for 5-[4-(1-methylcyclopropyl)phenyl]furan-2-carboxylic acid is CC1(c2ccc(-c3ccc(C(=O)O)o3)cc2)CC1.
What is the InChIKey of 5-[4-(1-methylcyclopropyl)phenyl]furan-2-carboxylic acid?
The InChIKey is UWDRFJTZSHYFMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14O3/c1-15(8-9-15)11-4-2-10(3-5-11)12-6-7-13(18-12)14(16)17/h2-7H,8-9H2,1H3,(H,16,17).
What are the key properties of 5-[4-(1-methylcyclopropyl)phenyl]furan-2-carboxylic acid?
5-[4-(1-methylcyclopropyl)phenyl]furan-2-carboxylic acid has a molecular weight of 242.27 g/mol, XLogP of 3.70, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-(1-methylcyclopropyl)phenyl]furan-2-carboxylic acid is sourced from PubChem (CID 152990404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).